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2-Pentenoic acid, 2-methyl-5-[1a,2,3,4,4a,5,7a,7b-octahydro-1-(hydroxymethyl)-4,7-dimethyl-1H-cyclobuta[de]naphthalen-1-yl]-, [1R-[1.alpha.,1(E),1a.alpha.,4.beta.,4a.alpha.,7a.alpha.,7b.alpha.]]-
SpectraBase Compound ID 8kdhKrsCTKN
InChI InChI=1S/C20H30O3/c1-12-7-9-16-17-15(12)8-6-13(2)18(17)20(16,11-21)10-4-5-14(3)19(22)23/h5-6,12,15-18,21H,4,7-11H2,1-3H3,(H,22,23)/b14-5+/t12-,15-,16+,17-,18-,20+/m1/s1
InChIKey ZAZLEBYUHOCRNY-KWJJIOBBSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ksg5fHUoaBu
Name 2-Pentenoic acid, 2-methyl-5-[1a,2,3,4,4a,5,7a,7b-octahydro-1-(hydroxymethyl)-4,7-dimethyl-1H-cyclobuta[de]naphthalen-1-yl]-, [1R-[1.alpha.,1(E),1a.alpha.,4.beta.,4a.alpha.,7a.alpha.,7b.alpha.]]-
CAS Registry Number 77982-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-12-7-9-16-17-15(12)8-6-13(2)18(17)20(16,11-21)10-4-5-14(3)19(22)23/h5-6,12,15-18,21H,4,7-11H2,1-3H3,(H,22,23)/b14-5+/t12-,15-,16+,17-,18-,20+/m1/s1
InChIKey ZAZLEBYUHOCRNY-KWJJIOBBSA-N
Molecular Weight 318.457 g/mol
SMILES OC[C@]1(CC\C=C\(C(=O)O)C)[C@@]2(C(=CC[C@]3([C@@]2([C@@]1(CC[C@]3(C)[H])[H])[H])[H])C)[H]
SPLASH splash10-001j-0911000000-c3d6cd5f7721961a7b8b
Source of Spectrum F-36-3257-0
Synonyms (2E)-5-[(1S,1aS,4R,4aR,7aS,7bR)-1-(hydroxymethyl)-4,7-dimethyl-1a,2,3,4,4a,5,7a,7b-octahydro-1H-cyclobuta[de]naphthalen-1-yl]-2-methyl-2-pentenoic acid 18-Hydroxydecipi-2(4),14-dien-1-oic acid 1H-cyclobuta[de]naphthalene, 2-pentenoic acid deriv.
Wiley ID 1318790